N-[2-(azepan-1-yl)-2-oxoethyl]-2-(dimethylamino)-N-methylacetamide

C13H25N3O2 — CID 167227001

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-2-(dimethylamino)-N-methylacetamide
SMILESCN(C)CC(=O)N(C)CC(=O)N1CCCCCC1
InChIInChI=1S/C13H25N3O2/c1-14(2)10-12(17)15(3)11-13(18)16-8-6-4-5-7-9-16/h4-11H2,1-3H3
InChIKeyYSDOJQUUPDVDNZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.41
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-2-(dimethylamino)-N-methylacetamide

N-[2-(azepan-1-yl)-2-oxoethyl]-2-(dimethylamino)-N-methylacetamide (PubChem CID 167227001) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-2-(dimethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-2-(dimethylamino)-N-methylacetamide
PubChem CID167227001
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-2-(dimethylamino)-N-methylacetamide
SMILESCN(C)CC(=O)N(C)CC(=O)N1CCCCCC1
InChIInChI=1S/C13H25N3O2/c1-14(2)10-12(17)15(3)11-13(18)16-8-6-4-5-7-9-16/h4-11H2,1-3H3
InChIKeyYSDOJQUUPDVDNZ-UHFFFAOYSA-N
XLogP0.41
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-2-(dimethylamino)-N-methylacetamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-2-(dimethylamino)-N-methylacetamide (CID 167227001) is N-[2-(azepan-1-yl)-2-oxoethyl]-2-(dimethylamino)-N-methylacetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-2-(dimethylamino)-N-methylacetamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-2-(dimethylamino)-N-methylacetamide is CN(C)CC(=O)N(C)CC(=O)N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-2-(dimethylamino)-N-methylacetamide?
The InChIKey is YSDOJQUUPDVDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-14(2)10-12(17)15(3)11-13(18)16-8-6-4-5-7-9-16/h4-11H2,1-3H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-2-(dimethylamino)-N-methylacetamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-2-(dimethylamino)-N-methylacetamide has a molecular weight of 255.36 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-2-(dimethylamino)-N-methylacetamide is sourced from PubChem (CID 167227001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).